1-cyclopentyl-3-(2,2,2-trifluoroethyl)urea

C8H13F3N2O — CID 115575964

IUPAC1-cyclopentyl-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)NC1CCCC1
InChIInChI=1S/C8H13F3N2O/c9-8(10,11)5-12-7(14)13-6-3-1-2-4-6/h6H,1-5H2,(H2,12,13,14)
InChIKeyKFICYJAMYHCUCY-UHFFFAOYSA-N
MW210.20 g/mol
LogP1.79
Rot. Bonds2

About 1-cyclopentyl-3-(2,2,2-trifluoroethyl)urea

1-cyclopentyl-3-(2,2,2-trifluoroethyl)urea (PubChem CID 115575964) has the molecular formula C8H13F3N2O and a molecular weight of 210.20 g/mol. Its IUPAC name is 1-cyclopentyl-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-cyclopentyl-3-(2,2,2-trifluoroethyl)urea
PubChem CID115575964
Molecular FormulaC8H13F3N2O
Molecular Weight210.20 g/mol
Exact Mass210.10
IUPAC Name1-cyclopentyl-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)NC1CCCC1
InChIInChI=1S/C8H13F3N2O/c9-8(10,11)5-12-7(14)13-6-3-1-2-4-6/h6H,1-5H2,(H2,12,13,14)
InChIKeyKFICYJAMYHCUCY-UHFFFAOYSA-N
XLogP1.79
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-cyclopentyl-3-(2,2,2-trifluoroethyl)urea (CID 115575964) is 1-cyclopentyl-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-cyclopentyl-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-cyclopentyl-3-(2,2,2-trifluoroethyl)urea is O=C(NCC(F)(F)F)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is KFICYJAMYHCUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O/c9-8(10,11)5-12-7(14)13-6-3-1-2-4-6/h6H,1-5H2,(H2,12,13,14).
What are the key properties of 1-cyclopentyl-3-(2,2,2-trifluoroethyl)urea?
1-cyclopentyl-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 210.20 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 115575964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).